N-[(2-bromophenyl)methyl]-N-methyl-1-phenylcyclopropane-1-carboxamide

C18H18BrNO — CID 60630831

IUPACN-[(2-bromophenyl)methyl]-N-methyl-1-phenylcyclopropane-1-carboxamide
SMILESCN(Cc1ccccc1Br)C(=O)C1(c2ccccc2)CC1
InChIInChI=1S/C18H18BrNO/c1-20(13-14-7-5-6-10-16(14)19)17(21)18(11-12-18)15-8-3-2-4-9-15/h2-10H,11-13H2,1H3
InChIKeyRGESGBXMAZOVBV-UHFFFAOYSA-N
MW344.25 g/mol
LogP4.14
Rot. Bonds4

About N-[(2-bromophenyl)methyl]-N-methyl-1-phenylcyclopropane-1-carboxamide

N-[(2-bromophenyl)methyl]-N-methyl-1-phenylcyclopropane-1-carboxamide (PubChem CID 60630831) has the molecular formula C18H18BrNO and a molecular weight of 344.25 g/mol. Its IUPAC name is N-[(2-bromophenyl)methyl]-N-methyl-1-phenylcyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-[(2-bromophenyl)methyl]-N-methyl-1-phenylcyclopropane-1-carboxamide
PubChem CID60630831
Molecular FormulaC18H18BrNO
Molecular Weight344.25 g/mol
Exact Mass343.06
IUPAC NameN-[(2-bromophenyl)methyl]-N-methyl-1-phenylcyclopropane-1-carboxamide
SMILESCN(Cc1ccccc1Br)C(=O)C1(c2ccccc2)CC1
InChIInChI=1S/C18H18BrNO/c1-20(13-14-7-5-6-10-16(14)19)17(21)18(11-12-18)15-8-3-2-4-9-15/h2-10H,11-13H2,1H3
InChIKeyRGESGBXMAZOVBV-UHFFFAOYSA-N
XLogP4.14
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.25
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-methyl-N-[(2-methylphenyl)methyl]-1-phenylcyclopropane-1-carboxamide
CID 134028500
1-(aminomethyl)-N-[(2-bromophenyl)methyl]-N-methylcyclopropane-1-carboxamide
CID 113312820
1-(4-bromophenyl)-N-[(2-methoxyphenyl)methyl]-N-methylcyclopropane-1-carboxamide
CID 55521659
N-[(2-bromophenyl)methyl]-N-methyl-4-[3-(trifluoromethyl)phenyl]oxane-4-carboxamide
CID 55997190
1-(aminomethyl)-N-[(2-bromophenyl)methyl]-N-methylcyclobutane-1-carboxamide
CID 115447915
N-[(4-bromophenyl)methyl]-N-methyl-1-phenylcyclobutane-1-carboxamide
CID 55429305
N-(2-hydroxypropyl)-N-methyl-1-phenylcyclopropane-1-carboxamide
CID 62335163
N-(2-aminoethyl)-N-methyl-1-phenylcyclopropane-1-carboxamide
CID 62878656
N-[(2,3-dichlorophenyl)methyl]-N-methyl-4-phenyloxane-4-carboxamide
CID 39913975
1-[(2-bromophenyl)methyl]-1-methylurea
CID 60703114
N-(5-bromopentyl)-N-methyl-1-phenylcyclopropane-1-carboxamide
CID 107206168
1-ethylsulfonyl-N-[(2-fluorophenyl)methyl]-N-methyl-4-phenylpiperidine-4-carboxamide
CID 78816390

Frequently Asked Questions

What is the IUPAC name of N-[(2-bromophenyl)methyl]-N-methyl-1-phenylcyclopropane-1-carboxamide?
The IUPAC name of N-[(2-bromophenyl)methyl]-N-methyl-1-phenylcyclopropane-1-carboxamide (CID 60630831) is N-[(2-bromophenyl)methyl]-N-methyl-1-phenylcyclopropane-1-carboxamide.
What is the SMILES notation for N-[(2-bromophenyl)methyl]-N-methyl-1-phenylcyclopropane-1-carboxamide?
The canonical SMILES for N-[(2-bromophenyl)methyl]-N-methyl-1-phenylcyclopropane-1-carboxamide is CN(Cc1ccccc1Br)C(=O)C1(c2ccccc2)CC1.
What is the InChIKey of N-[(2-bromophenyl)methyl]-N-methyl-1-phenylcyclopropane-1-carboxamide?
The InChIKey is RGESGBXMAZOVBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18BrNO/c1-20(13-14-7-5-6-10-16(14)19)17(21)18(11-12-18)15-8-3-2-4-9-15/h2-10H,11-13H2,1H3.
What are the key properties of N-[(2-bromophenyl)methyl]-N-methyl-1-phenylcyclopropane-1-carboxamide?
N-[(2-bromophenyl)methyl]-N-methyl-1-phenylcyclopropane-1-carboxamide has a molecular weight of 344.25 g/mol, XLogP of 4.14, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-bromophenyl)methyl]-N-methyl-1-phenylcyclopropane-1-carboxamide is sourced from PubChem (CID 60630831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).